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1,2-Benzenedicarbonitrile, 4-nitro-5-[(1-tricyclo[3.3.1.1(3,7)]dec-1-ylethyl)amino]-
SpectraBase Compound ID 5hoU8557Jk8
InChI InChI=1S/C20H22N4O2/c1-12(20-7-13-2-14(8-20)4-15(3-13)9-20)23-18-5-16(10-21)17(11-22)6-19(18)24(25)26/h5-6,12-15,23H,2-4,7-9H2,1H3/t12?,13-,14+,15-,20-
InChIKey SSCRIPTVQFSGHN-PYNZVQSPSA-N
Mol Weight 350.42 g/mol
Molecular Formula C20H22N4O2
Exact Mass 350.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyTk9XMREVX
Name 1,2-Benzenedicarbonitrile, 4-nitro-5-[(1-tricyclo[3.3.1.1(3,7)]dec-1-ylethyl)amino]-
Alternate Name(s) 4-{[1-(adamantan-1-yl)ethyl]amino}-5-nitrobenzene-1,2-dicarbonitrile 4-[1-(1-adamantyl)ethylamino]-5-nitrobenzene-1,2-dicarbonitrile 4-[1-(1-adamantyl)ethylamino]-5-nitro-benzene-1,2-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4O2
InChI InChI=1S/C20H22N4O2/c1-12(20-7-13-2-14(8-20)4-15(3-13)9-20)23-18-5-16(10-21)17(11-22)6-19(18)24(25)26/h5-6,12-15,23H,2-4,7-9H2,1H3/t12?,13-,14+,15-,20-
InChIKey SSCRIPTVQFSGHN-PYNZVQSPSA-N
Molecular Weight 350.422 g/mol
SMILES N(C(C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])C)c1cc(c(C#N)cc1N(=O)=O)C#N
SPLASH splash10-002u-9700000000-f59fb0d52ab3242162ed
Source of Spectrum IY-2-5000-8
Wiley ID 1657991